4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine

C17H23N3 — CID 163829153

IUPAC4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine
SMILESCC(NCC1CCCC1)c1cnc(N)c2ccccc12
InChIInChI=1S/C17H23N3/c1-12(19-10-13-6-2-3-7-13)16-11-20-17(18)15-9-5-4-8-14(15)16/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H2,18,20)
InChIKeyOCECWZUKLPYCTO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds4

About 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine

4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine (PubChem CID 163829153) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine
PubChem CID163829153
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine
SMILESCC(NCC1CCCC1)c1cnc(N)c2ccccc12
InChIInChI=1S/C17H23N3/c1-12(19-10-13-6-2-3-7-13)16-11-20-17(18)15-9-5-4-8-14(15)16/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H2,18,20)
InChIKeyOCECWZUKLPYCTO-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine?
The IUPAC name of 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine (CID 163829153) is 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine?
The canonical SMILES for 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine is CC(NCC1CCCC1)c1cnc(N)c2ccccc12.
What is the InChIKey of 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine?
The InChIKey is OCECWZUKLPYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(19-10-13-6-2-3-7-13)16-11-20-17(18)15-9-5-4-8-14(15)16/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H2,18,20).
What are the key properties of 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine?
4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentylmethylamino)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 163829153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).